| SpectraBase Compound ID | 2yISuJ6RvZm |
|---|---|
| InChI | InChI=1S/C4H5ClO2/c1-3(5)2-4(6)7/h2H,1H3,(H,6,7)/b3-2+ |
| InChIKey | XBOTUWGQYMHUFO-NSCUHMNNSA-N |
| Mol Weight | 120.53 g/mol |
| Molecular Formula | C4H5ClO2 |
| Exact Mass | 119.997807 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9jVAZHoY2m6 |
|---|---|
| Name | cis-3-Chlorocrotonic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 119.997807099 u |
| Formula | C4H5ClO2 |
| InChI | InChI=1S/C4H5ClO2/c1-3(5)2-4(6)7/h2H,1H3,(H,6,7)/b3-2+ |
| InChIKey | XBOTUWGQYMHUFO-NSCUHMNNSA-N |
| Molecular Weight | 120.535 g/mol |
| SMILES | OC(\C=C/(C)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.990861 |